CID 67499987

1260535-94-1

Structural Information

Molecular Formula
C9H10ClN3
SMILES
CC(C)C1=C2C(=CC=NC2=NN1)Cl
InChI
InChI=1S/C9H10ClN3/c1-5(2)8-7-6(10)3-4-11-9(7)13-12-8/h3-5H,1-2H3,(H,11,12,13)
InChIKey
XAWZPCYFBBSSFU-UHFFFAOYSA-N
Compound name
4-chloro-3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

195.05632 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.063596 139.3
[M+Na]+ 218.045538 151.1
[M-H]- 194.049044 139.1
[M+NH4]+ 213.090143 158.3
[M+K]+ 234.019478 145.8
[M+H-H2O]+ 178.053580 132.4
[M+HCOO]- 240.054521 154.8
[M+CH3COO]- 254.070171 152.4
[M+Na-2H]- 216.030986 145.3
[M]+ 195.05577142 141.9
[M]- 195.05686858 141.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe